N-(1,3-benzothiazol-2-yl)furan-2-carboxamide

C12H8N2O2S — CID 715680

IUPACN-(1,3-benzothiazol-2-yl)furan-2-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)c1ccco1
InChIInChI=1S/C12H8N2O2S/c15-11(9-5-3-7-16-9)14-12-13-8-4-1-2-6-10(8)17-12/h1-7H,(H,13,14,15)
InChIKeyIEHMTXRMAOBNOS-UHFFFAOYSA-N
MW244.28 g/mol
LogP3.14
Rot. Bonds2

About N-(1,3-benzothiazol-2-yl)furan-2-carboxamide

N-(1,3-benzothiazol-2-yl)furan-2-carboxamide (PubChem CID 715680) has the molecular formula C12H8N2O2S and a molecular weight of 244.28 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)furan-2-carboxamide
PubChem CID715680
Molecular FormulaC12H8N2O2S
Molecular Weight244.28 g/mol
Exact Mass244.03
IUPAC NameN-(1,3-benzothiazol-2-yl)furan-2-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)c1ccco1
InChIInChI=1S/C12H8N2O2S/c15-11(9-5-3-7-16-9)14-12-13-8-4-1-2-6-10(8)17-12/h1-7H,(H,13,14,15)
InChIKeyIEHMTXRMAOBNOS-UHFFFAOYSA-N
XLogP3.14
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)furan-2-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)furan-2-carboxamide (CID 715680) is N-(1,3-benzothiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)furan-2-carboxamide is O=C(Nc1nc2ccccc2s1)c1ccco1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)furan-2-carboxamide?
The InChIKey is IEHMTXRMAOBNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O2S/c15-11(9-5-3-7-16-9)14-12-13-8-4-1-2-6-10(8)17-12/h1-7H,(H,13,14,15).
What are the key properties of N-(1,3-benzothiazol-2-yl)furan-2-carboxamide?
N-(1,3-benzothiazol-2-yl)furan-2-carboxamide has a molecular weight of 244.28 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 715680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).